>compound Mesaconic acid_Mesaconic acid
#instrument UPLC Q-Tof Premier, Waters
>formula C5H6O4
#smiles OC(=O)C=C(C)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100510.txt
>charge -1
>ionization [M-H]-
>parentmass 129.01881

>collision 5-60
85.0291 34.51
129.0188 5.546

